Information card for entry 4314431

Structure parameters

• Formula: C60 H78 N4
• Calculated formula: C60 H78 N4
• SMILES: N(c1c(Nc2cc(cc(c2)C(C)(C)C)C(C)(C)C)cccc1)(c1c(Nc2cc(cc(c2)C(C)(C)C)C(C)(C)C)cccc1)c1c(Nc2cc(cc(c2)C(C)(C)C)C(C)(C)C)cccc1
• Title of publication: Synthesis and Characterization of a Series of Structurally and Electronically Diverse Fe(II) Complexes Featuring a Family of Triphenylamido-Amine Ligands
• Authors of publication: Patrina Paraskevopoulou; Lin Ai; Qiuwen Wang; Devender Pinnapareddy; Rama Acharyya; Rupam Dinda; Purak Das; Remle Çelenligil-Çetin; Georgios Floros; Yiannis Sanakis; Amitava Choudhury; Nigam P. Rath; Pericles Stavropoulos
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 108 - 122
• a: 13.1328 ± 0.0013 Å
• b: 19.018 ± 0.002 Å
• c: 23.492 ± 0.003 Å
• α: 74.41 ± 0.002°
• β: 79.417 ± 0.003°
• γ: 71.358 ± 0.002°
• Cell volume: 5324.2 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2614
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 0.685
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No